B76ZWA -OEChem-04042104283D 77 80 0 1 0 0 0 0 0999 V2000 -2.3458 -2.7752 -2.1848 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6263 1.4323 -0.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6906 0.5087 1.2816 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5357 3.7936 -1.4325 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7912 1.8649 -2.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4723 -3.3495 -3.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 -3.5644 -1.5933 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 0.5096 0.9805 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6636 0.8018 -1.1483 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 -2.0014 -0.9487 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1329 0.9639 2.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 0.9031 0.8375 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3785 -1.1186 2.0579 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3443 -4.1023 -0.5698 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7829 -0.5486 2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3265 0.5638 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 -0.1661 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1749 0.8286 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 0.7912 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 2.2356 -1.3501 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6434 2.6735 -2.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 2.3482 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.7382 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2395 0.1543 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1087 -1.2167 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 1.1232 -2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 3.2681 -1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6085 0.8182 -1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7555 2.9632 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4358 0.2124 1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1142 2.5777 -1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7046 -1.8054 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 2.4032 2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7431 0.3053 3.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 -2.7596 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 -1.3457 -2.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4694 2.7673 1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 0.2094 5.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -2.0952 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 -2.8579 0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -4.8105 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 -4.2421 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3096 -0.6296 3.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8628 -1.5105 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2499 0.2875 0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5241 1.4570 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 -1.0259 2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 0.5503 3.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 1.8624 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 0.1540 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.7506 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 3.7534 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 2.2114 -3.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2056 0.2320 -1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 0.3991 -2.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0244 4.2248 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -0.1368 -2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 3.6834 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6688 -2.8777 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 2.8500 2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 2.8583 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6124 0.8815 4.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 -0.6865 3.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -1.7081 -3.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 -0.8424 -2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -0.6964 -3.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3813 2.3762 2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5666 3.8551 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4132 2.3650 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2187 -0.2624 5.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -0.3878 4.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 1.1998 5.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8068 -1.0149 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 4.0126 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 -2.3745 1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6278 -5.8858 -0.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 -4.8564 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 36 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 19 2 0 0 0 0 4 31 1 0 0 0 0 4 74 1 0 0 0 0 5 31 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 54 1 0 0 0 0 10 25 1 0 0 0 0 10 35 1 0 0 0 0 11 30 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 24 2 0 0 0 0 12 30 1 0 0 0 0 13 30 2 0 0 0 0 13 32 1 0 0 0 0 14 35 1 0 0 0 0 14 41 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 32 2 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 32 59 1 0 0 0 0 33 37 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 38 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 39 2 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 1 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$